Weak Topological Insulators and Composite Weyl Semimetals: $\beta$-Bi$_{4}$X$_{4}$ (X=Br, I)

TL;DR

This paper predicts and characterizes weak topological insulator phases in Bi4X4 (X=Br, I), revealing unique surface states, phase transitions, and a Weyl semimetal phase near the WTI-STI transition, with implications for experimental detection.

Contribution

It introduces a new scheme to identify WTIs in Bi4X4 compounds with natural cleavage surfaces and explores their topological phase transitions and emergent Weyl semimetal phase.

Findings

Bi4X4 compounds can be WTIs with natural cleavage surfaces.

Multiple surface state Lifshitz transitions occur under doping.

A Weyl semimetal phase emerges near the WTI-STI transition.

Abstract

While strong topological insulators (STI) have been experimentally realized soon after their theoretical predictions, a weak topological insulator (WTI) has yet to be unambiguously confirmed. A major obstacle is the lack of distinct natural cleavage surfaces to test the surface selective hallmark of WTI. With a new scheme, we discover that Bi$_{4}$X$_{4}$ (X=Br, I), stable or synthesized before, can be WTI with two natural cleavage surfaces, where two anisotropic Dirac cones stabilize and annihilate, respectively. We further find four surface state Lifshitz transitions under charge doping and two bulk topological phase transitions under uniaxial strain. Near the WTI-STI transition, there emerges a novel Weyl semimetal phase, in which the Fermi arcs generically appear at both cleavage surfaces whereas the Fermi circle only appears at one selected surface.